ethyl 5-(4-methylphenyl)sulfonyl-4-(4-sulfamoylphenyl)-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylate

C26H24N4O6S2 — CID 90743452

IUPACethyl 5-(4-methylphenyl)sulfonyl-4-(4-sulfamoylphenyl)-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylate
SMILESCCOC(=O)c1[nH]nc2c1C(c1ccc(S(N)(=O)=O)cc1)N(S(=O)(=O)c1ccc(C)cc1)c1ccccc1-2
InChIInChI=1S/C26H24N4O6S2/c1-3-36-26(31)24-22-23(28-29-24)20-6-4-5-7-21(20)30(38(34,35)19-12-8-16(2)9-13-19)25(22)17-10-14-18(15-11-17)37(27,32)33/h4-15,25H,3H2,1-2H3,(H,28,29)(H2,27,32,33)
InChIKeyGKMARESAFJPJJE-UHFFFAOYSA-N
MW552.63 g/mol
LogP3.51
Rot. Bonds6

About ethyl 5-(4-methylphenyl)sulfonyl-4-(4-sulfamoylphenyl)-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylate

ethyl 5-(4-methylphenyl)sulfonyl-4-(4-sulfamoylphenyl)-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylate (PubChem CID 90743452) has the molecular formula C26H24N4O6S2 and a molecular weight of 552.63 g/mol. Its IUPAC name is ethyl 5-(4-methylphenyl)sulfonyl-4-(4-sulfamoylphenyl)-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-methylphenyl)sulfonyl-4-(4-sulfamoylphenyl)-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylate
PubChem CID90743452
Molecular FormulaC26H24N4O6S2
Molecular Weight552.63 g/mol
Exact Mass552.11
IUPAC Nameethyl 5-(4-methylphenyl)sulfonyl-4-(4-sulfamoylphenyl)-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylate
SMILESCCOC(=O)c1[nH]nc2c1C(c1ccc(S(N)(=O)=O)cc1)N(S(=O)(=O)c1ccc(C)cc1)c1ccccc1-2
InChIInChI=1S/C26H24N4O6S2/c1-3-36-26(31)24-22-23(28-29-24)20-6-4-5-7-21(20)30(38(34,35)19-12-8-16(2)9-13-19)25(22)17-10-14-18(15-11-17)37(27,32)33/h4-15,25H,3H2,1-2H3,(H,28,29)(H2,27,32,33)
InChIKeyGKMARESAFJPJJE-UHFFFAOYSA-N
XLogP3.51
TPSA152.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.63
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 5-(4-methylphenyl)sulfonyl-4-(4-sulfamoylphenyl)-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylate with MolForge

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Related Compounds

methyl (3aS)-2-ethoxy-1-methyl-4-(4-methylphenyl)sulfonyl-3aH-cyclopenta[b]indole-3-carboxylate
CID 132552350
ethyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate
CID 10717075
5-(4-methylphenyl)sulfonyl-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylic acid
CID 68974373
ethyl 4-oxo-2H-indeno[1,2-c]pyrazole-3-carboxylate
CID 154276205
ethyl 2,6-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine-3-carboxylate
CID 101269463
1-[6-(4-methylphenyl)sulfonyl-5H-benzo[h][1,6]naphthyridin-5-yl]propan-2-one
CID 122399507
4-(4-methylphenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate
CID 18914586
ethyl (2S,5S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-phenyl-2,5-dihydropyrrole-3-carboxylate
CID 6610021
methyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate
CID 67435881
methyl 2-[7-methyl-5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate
CID 102042184
ethyl 3,5-bis(4-methylphenyl)-4-oxo-1H-pyridazine-6-carboxylate
CID 132961393
ethyl 1-methyl-5-(4-methylphenyl)sulfonyl-4H-pyrazolo[4,5-c]quinoline-3-carboxylate
CID 67505477

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-methylphenyl)sulfonyl-4-(4-sulfamoylphenyl)-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylate?
The IUPAC name of ethyl 5-(4-methylphenyl)sulfonyl-4-(4-sulfamoylphenyl)-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylate (CID 90743452) is ethyl 5-(4-methylphenyl)sulfonyl-4-(4-sulfamoylphenyl)-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-methylphenyl)sulfonyl-4-(4-sulfamoylphenyl)-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylate?
The canonical SMILES for ethyl 5-(4-methylphenyl)sulfonyl-4-(4-sulfamoylphenyl)-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylate is CCOC(=O)c1[nH]nc2c1C(c1ccc(S(N)(=O)=O)cc1)N(S(=O)(=O)c1ccc(C)cc1)c1ccccc1-2.
What is the InChIKey of ethyl 5-(4-methylphenyl)sulfonyl-4-(4-sulfamoylphenyl)-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylate?
The InChIKey is GKMARESAFJPJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O6S2/c1-3-36-26(31)24-22-23(28-29-24)20-6-4-5-7-21(20)30(38(34,35)19-12-8-16(2)9-13-19)25(22)17-10-14-18(15-11-17)37(27,32)33/h4-15,25H,3H2,1-2H3,(H,28,29)(H2,27,32,33).
What are the key properties of ethyl 5-(4-methylphenyl)sulfonyl-4-(4-sulfamoylphenyl)-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylate?
ethyl 5-(4-methylphenyl)sulfonyl-4-(4-sulfamoylphenyl)-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylate has a molecular weight of 552.63 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-methylphenyl)sulfonyl-4-(4-sulfamoylphenyl)-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylate is sourced from PubChem (CID 90743452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).